(R) -2-Amino-3-propylhexan-1-ol

CAT: 0127-OR1057832-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1057832-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2227762-98-1

Purity

97%

Smiles

CCCC(CCC)[C@@H](N)CO

Chemical Information

(R)-2-Amino-3-propylhexan-1-ol

CAS Number	2227762-98-1
PubChem CID	154703660
IUPAC Name	(2R)-2-amino-3-propylhexan-1-ol
Molecular Formula	C9H21NO
Molecular Weight	159.27
XLogP	1.8
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	79

SMILES

CCCC(CCC)[C@H](CO)N

InChI

InChI=1S/C9H21NO/c1-3-5-8(6-4-2)9(10)7-11/h8-9,11H,3-7,10H2,1-2H3/t9-/m0/s1

InChIKey

OLXLHWMIQJDKFX-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 2227762-98-1

CID: 154703660

Formula: C9H21NO

MW: 159.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.27
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	159.162314293
Monoisotopic Mass	159.162314293
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	79.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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